N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide

C13H18N2O2 — CID 116820516

IUPACN-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide
SMILESCN(N)C(=O)COc1cccc2c1CCCC2
InChIInChI=1S/C13H18N2O2/c1-15(14)13(16)9-17-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8H,2-3,5,7,9,14H2,1H3
InChIKeyXZRJDJLVQYVXQH-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.28
Rot. Bonds3

About N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide

N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide (PubChem CID 116820516) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide.

Molecular Properties

Compound NameN-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide
PubChem CID116820516
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide
SMILESCN(N)C(=O)COc1cccc2c1CCCC2
InChIInChI=1S/C13H18N2O2/c1-15(14)13(16)9-17-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8H,2-3,5,7,9,14H2,1H3
InChIKeyXZRJDJLVQYVXQH-UHFFFAOYSA-N
XLogP1.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide
CID 116820578
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane
CID 144530231
methyl 2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)prop-2-enoate
CID 177236476
4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one
CID 39349304
N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100721805
N-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100747328
N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100579097
2-(2-ethylphenoxy)-N-methylacetohydrazide
CID 116820495
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100662457
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
N-methyl-2-(2-propan-2-ylphenoxy)acetohydrazide
CID 116820498
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid
CID 112511655

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide?
The IUPAC name of N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide (CID 116820516) is N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide.
What is the SMILES notation for N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide?
The canonical SMILES for N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide is CN(N)C(=O)COc1cccc2c1CCCC2.
What is the InChIKey of N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide?
The InChIKey is XZRJDJLVQYVXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(14)13(16)9-17-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8H,2-3,5,7,9,14H2,1H3.
What are the key properties of N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide?
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide has a molecular weight of 234.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetohydrazide is sourced from PubChem (CID 116820516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).